SCHEMBL8308566

SCHEMBL8308566

COc1ccc2c(c1)c(CCBr)cn2C

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.74
HTR6 P50406 5/20 0.70
MTNR1A P48039 6/20 0.62
MTNR1B P49286 5/20 0.62
NQO2 P16083 1/20 0.62
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
SYK P43405 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8307407 0.91 ADRB2 (0.70) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL12185393 0.86 ADRB2 (0.76) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL1130016 0.85 ADRB2 (1.00) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL8306890 0.85 ADRB2 (0.74) ADRB2HTR6MTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL7680700 0.84 ADRB2 (0.97) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL13888101 0.83 ADRB2 (0.70) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL20307221 0.82 HTR6 (1.00) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL8304470 0.82 ADRB2 (0.70) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL32669223 0.81 ADRB2 (0.68) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL18509701 0.80 MTNR1A (0.67) ADRB2HTR6MTNR1AMTNR1BNQO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747379-B1 Derivatives of indole, indazole and benzisoxazole for the treatment of schizophrenia ADIR (FR) 1999-08-11 EP disclosed
US-5703070-A PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-30 US disclosed
EP-0747379-A1 Derivatives of indole, indazole and benzisoxazole for the treatment of schizophrenia ADIR ET COMPAGNIE (FR) 1996-12-11 EP disclosed